Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.0018   -1.5388    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007   -0.7673   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8126    0.4012   -0.0547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756    0.6566    0.1556 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0346    0.3981    1.7553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855    2.2878   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492    3.2380   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    2.8095    0.3138 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -0.6108   -0.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319   -0.4273   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9100   -1.6107   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4872   -2.3323   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -1.9717    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550   -0.8323    0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.4460   -1.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901   -1.2739   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5519    3.1910   -0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    4.2952   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800   -0.1034    1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    0.3930   -0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213   -2.1858   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546   -1.2408   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866   -2.3291    0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers